U9J
Summary
| Name: | (2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol |
| Formula: | C8 H16 O7 |
| Formal charge: | 0 |
| Formula weight: | 224.208 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-[bis(oxidanyl)methyl]-3,4-dimethoxy-oxane-2,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC(C(C1OC)OC)O)C(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | ABSMSNIBELWCOB-XLIHNKEPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1[C@H](O)O[C@@H](C(O)O)[C@@H](O)[C@@H]1OC |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)O[CH](C(O)O)[CH](O)[CH]1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(OC(C1OC)O)C(O)O)O |
